Vitas-M small molecule compound

5-[3-(4-chloro-2-methylphenoxy)propyl]-4-methyl-4H-1,2,4-triazole-3-thiol

Catalog ID
STK466216
SMILES Clc1ccc(c(c1)C)OCCCc1nnc(n1C)S

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H16ClN3OS MW 297.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16ClN3OS/c1-9-8-10(14)5-6-11(9)18-7-3-4-12-15-16-13(19)17(12)2/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)
InChIKey
QKPQQUNHODTMSM-UHFFFAOYSA-N
Synonyms
847503-28-0
3(3(4chloro2methylphenoxy)propyl)4methyl1H124triazole5thione
5(3(4CHLORO2METHYLPHENOXY)PROPYL)4METHYL124TRIAZOLE3THIOL
5(3(4chloro2methylphenoxy)propyl)4methyl4H124triazole3thiol
847503280
CC1=C(C=CC(=C1)Cl)OCCCC2=NNC(=S)N2C
InChI=1SC13H16ClN3OSc19810(14)5611(9)1873412151613(19)17(12)2h568H347H212H3(H1619)
MFCD04968878
ZINC000002536721
ZINC02536721
ZINC2536721

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.